SCHEMBL14636279

SCHEMBL14636279

CCCCCCCC/C=C\CCCCCCCCO[Si](CC)(CC)CC

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPAR2 Q9HBW0 3/20 0.49
LPAR3 Q9UBY5 3/20 0.49
LPAR1 Q92633 2/20 0.49
FAAH O00519 3/20 0.47
TRPV1 Q8NER1 1/20 0.47
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
SOAT1 P35610 1/20 0.46
KMT2A Q03164 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12506352 0.87 THRB (0.42) LPAR2LPAR3LPAR1MEN1KMT2A
SCHEMBL29236401 0.87 THRB (0.42) LPAR2LPAR3LPAR1MEN1KMT2A
SCHEMBL7754449 0.85 THRB (0.37) LPAR2LPAR3LPAR1MEN1KMT2A
SCHEMBL7170235 0.83 LPAR2 (0.52) LPAR2LPAR3LPAR1FAAHTRPV1
SCHEMBL7170228 0.83 LPAR2 (0.52) LPAR2LPAR3LPAR1FAAHTRPV1
SCHEMBL5701264 0.82 LPAR2 (0.50) LPAR2LPAR3LPAR1FAAHTRPV1
SCHEMBL489663 0.82 LPAR2 (0.50) LPAR2LPAR3LPAR1FAAHTRPV1
SCHEMBL5701269 0.82 LPAR2 (0.50) LPAR2LPAR3LPAR1FAAHTRPV1
SCHEMBL5701279 0.82 LPAR2 (0.50) LPAR2LPAR3LPAR1FAAHTRPV1
SCHEMBL5701277 0.82 LPAR2 (0.50) LPAR2LPAR3LPAR1FAAHTRPV1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013010747-A1 PROCESS FOR REDUCING CARBOXYLIC ESTERS OR CARBOXYLIC LACTONES TO THE CORRESPONDING ETHERS EVONIK GOLDSCHMIDT GMBH (DE) 2013-01-24 WO disclosed